4,4,4-Trifluoro-1-(3-chloro-4-methoxylphenyl)-1,3-butanedione

HCID 12972728
Substructure searchFind similar structures

Basic information

Standard SMILES
COc1ccc(C(=O)CC(=O)C(F)(F)F)cc1Cl
InChIKey
YRBCRBDLINKAFS-UHFFFAOYSA-N
Molecular formula
C11H8ClF3O3
Average molar mass
280.63 g/mol
Monoisotopic mass
280.0114063

Names & identifiers

Preferred name
4,4,4-Trifluoro-1-(3-chloro-4-methoxylphenyl)-1,3-butanedione
IUPAC
1-(3-chloro-4-methoxyphenyl)-4,4,4-trifluorobutane-1,3-dione

Names & synonyms

4,4,4-trifluoro-1-(3-chloro-4-methoxylphenyl)-1,3-butanedioneSCHEMBL6166658

Database identifiers

PubChem CID
12972728

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
43.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
18

Related reactions

3 records
New reaction record

Linked notes

Loading…